2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN8O2 — CID 90199619

IUPAC2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C20H23FN8O2/c1-27(2)20(31)12-4-3-7-28(10-12)15-5-6-23-9-14(15)25-19(30)16-17(22)26-29-11-13(21)8-24-18(16)29/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,22,26)(H,25,30)
InChIKeyVGZCZGAXXAJMCR-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199619) has the molecular formula C20H23FN8O2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199619
Molecular FormulaC20H23FN8O2
Molecular Weight426.46 g/mol
Exact Mass426.19
IUPAC Name2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C20H23FN8O2/c1-27(2)20(31)12-4-3-7-28(10-12)15-5-6-23-9-14(15)25-19(30)16-17(22)26-29-11-13(21)8-24-18(16)29/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,22,26)(H,25,30)
InChIKeyVGZCZGAXXAJMCR-UHFFFAOYSA-N
XLogP1.40
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199619) is 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)C1CCCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)C1.
What is the InChIKey of 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VGZCZGAXXAJMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O2/c1-27(2)20(31)12-4-3-7-28(10-12)15-5-6-23-9-14(15)25-19(30)16-17(22)26-29-11-13(21)8-24-18(16)29/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,22,26)(H,25,30).
What are the key properties of 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(dimethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).